CHEBI:182007 - Methyllycaconitine Perchlorate, Delphinium sp.

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ChEBI Name Methyllycaconitine Perchlorate, Delphinium sp.
ChEBI ID CHEBI:182007
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H50N2O10
Net Charge 0
Average Mass 682.811
Monoisotopic Mass 682.34655
InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3
InChIKey XLTANAWLDBYGFU-UHFFFAOYSA-N
SMILES OC12C3N(CC4(C(C3(C5C6C1(O)CC(OC)C(C5)C6OC)C(OC)CC4)C2OC)COC(=O)C=7C(N8C(=O)C(CC8=O)C)=CC=CC7)CC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Methyllycaconitine Perchlorate, Delphinium sp. (CHEBI:182007) has functional parent aconitane (CHEBI:35911)
Methyllycaconitine Perchlorate, Delphinium sp. (CHEBI:182007) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name
(11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Manual Xrefs Databases
432814 ChemSpider
LSM-1457 LINCS
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